3-[[1-(1H-pyrazol-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol

C17H15F3N6O — CID 59333364

IUPAC3-[[1-(1H-pyrazol-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol
SMILESOCCCNc1nc2cc(C(F)(F)F)ccc2n2c(-c3cn[nH]c3)cnc12
InChIInChI=1S/C17H15F3N6O/c18-17(19,20)11-2-3-13-12(6-11)25-15(21-4-1-5-27)16-22-9-14(26(13)16)10-7-23-24-8-10/h2-3,6-9,27H,1,4-5H2,(H,21,25)(H,23,24)
InChIKeyRNDJNFZJUGFSNX-UHFFFAOYSA-N
MW376.34 g/mol
LogP3.09
Rot. Bonds5

About 3-[[1-(1H-pyrazol-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol

3-[[1-(1H-pyrazol-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol (PubChem CID 59333364) has the molecular formula C17H15F3N6O and a molecular weight of 376.34 g/mol. Its IUPAC name is 3-[[1-(1H-pyrazol-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[1-(1H-pyrazol-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol
PubChem CID59333364
Molecular FormulaC17H15F3N6O
Molecular Weight376.34 g/mol
Exact Mass376.13
IUPAC Name3-[[1-(1H-pyrazol-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol
SMILESOCCCNc1nc2cc(C(F)(F)F)ccc2n2c(-c3cn[nH]c3)cnc12
InChIInChI=1S/C17H15F3N6O/c18-17(19,20)11-2-3-13-12(6-11)25-15(21-4-1-5-27)16-22-9-14(26(13)16)10-7-23-24-8-10/h2-3,6-9,27H,1,4-5H2,(H,21,25)(H,23,24)
InChIKeyRNDJNFZJUGFSNX-UHFFFAOYSA-N
XLogP3.09
TPSA91.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.34
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(1H-pyrazol-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol?
The IUPAC name of 3-[[1-(1H-pyrazol-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol (CID 59333364) is 3-[[1-(1H-pyrazol-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol.
What is the SMILES notation for 3-[[1-(1H-pyrazol-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol?
The canonical SMILES for 3-[[1-(1H-pyrazol-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol is OCCCNc1nc2cc(C(F)(F)F)ccc2n2c(-c3cn[nH]c3)cnc12.
What is the InChIKey of 3-[[1-(1H-pyrazol-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol?
The InChIKey is RNDJNFZJUGFSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N6O/c18-17(19,20)11-2-3-13-12(6-11)25-15(21-4-1-5-27)16-22-9-14(26(13)16)10-7-23-24-8-10/h2-3,6-9,27H,1,4-5H2,(H,21,25)(H,23,24).
What are the key properties of 3-[[1-(1H-pyrazol-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol?
3-[[1-(1H-pyrazol-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol has a molecular weight of 376.34 g/mol, XLogP of 3.09, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(1H-pyrazol-4-yl)-7-(trifluoromethyl)imidazo[1,2-a]quinoxalin-4-yl]amino]propan-1-ol is sourced from PubChem (CID 59333364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).